Molecular Properties | |
SMILES: | O=C(Cn1c(=O)n(Cc2cccs2)c(=O)c2ncccc21)c1ccc(F)cc1 |
MW: | 395.07 |
Fraction sp3: | 0.1 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 73.96 |
cLogP: | 2.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7172333431 |
MolPort: | MolPort-019-846-350 |
Filter82_pyridinium
Ketone
MAR-TRE-b77b7921-6
0.663
MAR-TRE-74c6519b-84
0.609
MAR-TRE-f6f5f473-64
0.593
MAR-TRE-d0525fbf-61
0.576
MAR-TRE-04c86cea-23
0.576
MAR-TRE-f6f5f473-15
0.576
MAR-TRE-f6f5f473-5
0.564
MAR-TRE-f6f5f473-3
0.558
MAR-TRE-04c86cea-66
0.558
MAR-TRE-f6f5f473-60
0.552
MAR-TRE-b77b7921-28
0.552
MAR-TRE-f6f5f473-57
0.541
MAR-TRE-b77b7921-36
0.533
MAR-TRE-f6f5f473-19
0.522
MAR-TRE-7f7bb9f0-77
0.495
MAR-TRE-d0525fbf-76
0.490
MAR-TRE-d0525fbf-31
0.480
MAR-TRE-4b834d9a-72
0.479
MAR-TRE-b77b7921-56
0.451
MAR-TRE-d0525fbf-1
0.450
MAR-TRE-74c6519b-1
0.446
MAR-TRE-d0525fbf-60
0.446
MAR-TRE-74c6519b-2
0.441
MAR-TRE-d0525fbf-17
0.440
MAR-TRE-04c86cea-2
0.440
MAR-TRE-9c797165-19
0.438
MAR-TRE-d0525fbf-34
0.438
MAR-TRE-d0525fbf-32
0.438
MAR-TRE-b77b7921-76
0.435
MAR-TRE-b77b7921-49
0.435
MAR-TRE-74c6519b-87
0.434
MAR-TRE-4b834d9a-19
0.430
MAR-TRE-d0525fbf-73
0.429
MAR-TRE-d0525fbf-48
0.422
MAR-TRE-7f7bb9f0-24
0.422
MAR-TRE-d0525fbf-67
0.417
MAR-TRE-f6f5f473-38
0.416
MAR-TRE-3e4e6814-15
0.413
MAR-TRE-d0525fbf-15
0.411
MAR-TRE-7f7bb9f0-52
0.410
MAR-TRE-4b834d9a-41
0.408
MAR-TRE-04c86cea-59
0.408
MAR-TRE-3e4e6814-48
0.406
MAR-TRE-3e4e6814-91
0.406
MAR-TRE-4b834d9a-81
0.404
MAR-TRE-b77b7921-58
0.404
MAR-TRE-d0525fbf-62
0.402
MAR-TRE-74c6519b-28
0.402
MAR-TRE-d0525fbf-47
0.402
MAR-TRE-7f7bb9f0-40
0.400
MAR-TRE-d0525fbf-25
0.400
MAR-TRE-04c86cea-67
0.400
MAR-TRE-04c86cea-30
0.398
MAR-TRE-d0525fbf-58
0.398
MAR-TRE-74c6519b-21
0.396
MAR-TRE-b77b7921-82
0.394
MAR-TRE-b77b7921-42
0.393
MAR-TRE-74c6519b-74
0.392
MAR-TRE-b77b7921-13
0.392
MAR-TRE-b77b7921-14
0.392
MAR-TRE-d0525fbf-49
0.389
MAR-TRE-3e4e6814-40
0.387
MAR-TRE-b77b7921-57
0.387
MAR-TRE-74c6519b-62
0.385
MAR-TRE-d0525fbf-19
0.382
MAR-TRE-b77b7921-86
0.381
MAR-TRE-3e4e6814-29
0.381
MAR-TRE-74c6519b-31
0.381
MAR-TRE-3e4e6814-83
0.380
MAR-TRE-4b834d9a-52
0.379
MAR-TRE-4b834d9a-50
0.379
MAR-TRE-b77b7921-1
0.379
MAR-TRE-d0525fbf-27
0.377
MAR-TRE-f6f5f473-7
0.376
MAR-TRE-b77b7921-60
0.376
MAR-TRE-d0525fbf-20
0.376
MAR-TRE-04c86cea-10
0.375
MAR-TRE-b77b7921-46
0.375
MAR-TRE-74c6519b-37
0.374
MAR-TRE-d0525fbf-56
0.374
MAR-TRE-04c86cea-43
0.374
MAR-TRE-3e4e6814-32
0.371
MAR-TRE-04c86cea-8
0.371
MAR-TRE-4b834d9a-28
0.370
MAR-TRE-04c86cea-99
0.370
MAR-TRE-b77b7921-41
0.370
MAR-TRE-b77b7921-51
0.370
MAR-TRE-3e4e6814-99
0.370
MAR-TRE-3e4e6814-11
0.368
MAR-TRE-74c6519b-32
0.368
MAR-TRE-04c86cea-22
0.368
MAR-TRE-3e4e6814-46
0.367
MAR-TRE-04c86cea-42
0.367
MAR-TRE-d0525fbf-29
0.364
MAR-TRE-b77b7921-25
0.364
MAR-TRE-74c6519b-4
0.364
MAR-TRE-74c6519b-15
0.364
MAR-TRE-74c6519b-33
0.364
MAR-TRE-74c6519b-40
0.364
MAR-TRE-04c86cea-3
0.364